(3Z)-6-ethanoyl-3-(phenylmethylidene)-2-benzofuran-1-one

Systemtic Name: (3Z)-6-ethanoyl-3-(phenylmethylidene)-2-benzofuran-1-one Openeye Name: (3Z)-6-acetyl-3-benzylidene-isobenzofuran-1-one CAS Name: (3Z)-6-acetyl-3-(phenylmethylene)-1-isobenzofuranone IUPAC Name: (3Z)-6-acetyl-3-benzylidene-2-benzofuran-1-one Traditional Name: (3Z)-6-acetyl-3-benzal-phthalide Formula: C17H12O3 MolecularWeight: 264.27538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)C(=CC3=CC=CC=C3)OC2=O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)/C(=C/C3=CC=CC=C3)/OC2=O

InChI

InChI=1S/C17H12O3/c1-11(18)13-7-8-14-15(10-13)17(19)20-16(14)9-12-5-3-2-4-6-12/h2-10H,1H3/b16-9-